3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid

C15H13FN2O3 — CID 171832399

IUPAC3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(Oc2cccc(C3CC3)c2F)nn1
InChIInChI=1S/C15H13FN2O3/c1-8-7-11(15(19)20)14(18-17-8)21-12-4-2-3-10(13(12)16)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,19,20)
InChIKeyRRLYFKAQXYIPPI-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.29
Rot. Bonds4

About 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid

3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid (PubChem CID 171832399) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid
PubChem CID171832399
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(Oc2cccc(C3CC3)c2F)nn1
InChIInChI=1S/C15H13FN2O3/c1-8-7-11(15(19)20)14(18-17-8)21-12-4-2-3-10(13(12)16)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,19,20)
InChIKeyRRLYFKAQXYIPPI-UHFFFAOYSA-N
XLogP3.29
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid (CID 171832399) is 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid is Cc1cc(C(=O)O)c(Oc2cccc(C3CC3)c2F)nn1.
What is the InChIKey of 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid?
The InChIKey is RRLYFKAQXYIPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-8-7-11(15(19)20)14(18-17-8)21-12-4-2-3-10(13(12)16)9-5-6-9/h2-4,7,9H,5-6H2,1H3,(H,19,20).
What are the key properties of 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid?
3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid has a molecular weight of 288.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-2-fluorophenoxy)-6-methylpyridazine-4-carboxylic acid is sourced from PubChem (CID 171832399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).